3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide

C13H8ClF3N2OS — CID 66484493

IUPAC3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1ccncc1Cl
InChIInChI=1S/C13H8ClF3N2OS/c14-11-7-18-6-5-10(11)12(20)19-8-1-3-9(4-2-8)21-13(15,16)17/h1-7H,(H,19,20)
InChIKeyIKKIKRJVUNZSIM-UHFFFAOYSA-N
MW332.73 g/mol
LogP4.60
Rot. Bonds3

About 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide

3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide (PubChem CID 66484493) has the molecular formula C13H8ClF3N2OS and a molecular weight of 332.73 g/mol. Its IUPAC name is 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
PubChem CID66484493
Molecular FormulaC13H8ClF3N2OS
Molecular Weight332.73 g/mol
Exact Mass332.00
IUPAC Name3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1ccncc1Cl
InChIInChI=1S/C13H8ClF3N2OS/c14-11-7-18-6-5-10(11)12(20)19-8-1-3-9(4-2-8)21-13(15,16)17/h1-7H,(H,19,20)
InChIKeyIKKIKRJVUNZSIM-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.73
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 138041122
5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
CID 166523086
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66462226
3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide
CID 106913068
3-chloro-N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 66483325
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
CID 66483370
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 79118519
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide (CID 66484493) is 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(SC(F)(F)F)cc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
The InChIKey is IKKIKRJVUNZSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2OS/c14-11-7-18-6-5-10(11)12(20)19-8-1-3-9(4-2-8)21-13(15,16)17/h1-7H,(H,19,20).
What are the key properties of 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide?
3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide has a molecular weight of 332.73 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).